Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29229
- Core Entity Id
- 35675
- Source Entity Count
- 1
- Preferred Name
- Pc-2000-53-503-15
- Name En
- Pubchem Id
- 23263888
- Smiles Canonical
- CN(C)C(=O)C=C(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2
- Molecular Formula
- C18H17NO3
- Molecular Weight
- 295.3380
- Inchikey
- YTRCWGCAHIZEAO-SSZFMOIBSA-N
- Inchi
- InChI=1S/C18H17NO3/c1-19(2)17(20)13-16(14-9-5-3-6-10-14)22-18(21)15-11-7-4-8-12-15/h3-13H,1-2H3/b16-13-
- Isomeric Smiles
- CN(C)C(=O)/C=C(/C1=CC=CC=C1)\OC(=O)C2=CC=CC=C2
- Cas Id
- Ob Score
- Mol Logp
- 2.9727
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
PC-2000-53-503-15
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Pc-2000-53-503-15
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pc-2000-53-503-15
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
光亮石松
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUANG LIANG SHI SONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Shining Clubmoss*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
光亮石松GUANG LIANG SHI SONGShining Clubmoss*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038984
Tcmid
16726
Pub Chem
23263888
Tcmbank
TCMBANKIN049287
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H17NO3/c1-19(2)17(20)13-16(14-9-5-3-6-10-14)22-18(21)15-11-7-4-8-12-15/h3-13H,1-2H3/b16-13-
Mol Wt
295.338
Mol Log P
2.972700000000001
In Ch Ikey
YTRCWGCAHIZEAO-SSZFMOIBSA-N
Tcm Name
光亮石松
Tcm Name2
GUANG LIANG SHI SONG
Mol2 Path
/TCM_database/2007_3d_all/16738.mol2
Reference
3927
Num Hdonors
0
Tcm Name En
Shining Clubmoss*
Drug Likeness
0.495
Num Hacceptors
3
Isomeric Smiles
CN(C)C(=O)/C=C(/C1=CC=CC=C1)\OC(=O)C2=CC=CC=C2
Canonical Smiles
CN(C)C(=O)C=C(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2
Molecular Formula
C18H17NO3
Num Rotatable Bonds
4